N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine

C43H24N2O3S — CID 167124156

IUPACN,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
SMILESc1ccc(-c2nc3ccc4oc5ccc(N(c6ccc7oc8ccccc8c7c6)c6ccc7oc8ccccc8c7c6)cc5c4c3s2)cc1
InChIInChI=1S/C43H24N2O3S/c1-2-8-25(9-3-1)43-44-34-17-21-40-41(42(34)49-43)33-24-28(16-20-39(33)48-40)45(26-14-18-37-31(22-26)29-10-4-6-12-35(29)46-37)27-15-19-38-32(23-27)30-11-5-7-13-36(30)47-38/h1-24H
InChIKeyHNBWAJSOSKFPOQ-UHFFFAOYSA-N
MW648.74 g/mol
LogP13.13
Rot. Bonds4

About N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine

N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine (PubChem CID 167124156) has the molecular formula C43H24N2O3S and a molecular weight of 648.74 g/mol. Its IUPAC name is N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine.

Molecular Properties

Compound NameN,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
PubChem CID167124156
Molecular FormulaC43H24N2O3S
Molecular Weight648.74 g/mol
Exact Mass648.15
IUPAC NameN,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
SMILESc1ccc(-c2nc3ccc4oc5ccc(N(c6ccc7oc8ccccc8c7c6)c6ccc7oc8ccccc8c7c6)cc5c4c3s2)cc1
InChIInChI=1S/C43H24N2O3S/c1-2-8-25(9-3-1)43-44-34-17-21-40-41(42(34)49-43)33-24-28(16-20-39(33)48-40)45(26-14-18-37-31(22-26)29-10-4-6-12-35(29)46-37)27-15-19-38-32(23-27)30-11-5-7-13-36(30)47-38/h1-24H
InChIKeyHNBWAJSOSKFPOQ-UHFFFAOYSA-N
XLogP13.13
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.74
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163531412
N-dibenzofuran-4-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124154
N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine
CID 177113018
N-dibenzofuran-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzothiazol-10-amine
CID 171607722
N-dibenzothiophen-3-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167125172
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167125349
N-(3-naphthalen-1-yl-4-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 170396079
N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
CID 163463694
N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-7-amine
CID 171412044
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167124248
N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine
CID 171747668
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-8-amine
CID 167124499

Frequently Asked Questions

What is the IUPAC name of N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine?
The IUPAC name of N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine (CID 167124156) is N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine.
What is the SMILES notation for N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine?
The canonical SMILES for N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine is c1ccc(-c2nc3ccc4oc5ccc(N(c6ccc7oc8ccccc8c7c6)c6ccc7oc8ccccc8c7c6)cc5c4c3s2)cc1.
What is the InChIKey of N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine?
The InChIKey is HNBWAJSOSKFPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O3S/c1-2-8-25(9-3-1)43-44-34-17-21-40-41(42(34)49-43)33-24-28(16-20-39(33)48-40)45(26-14-18-37-31(22-26)29-10-4-6-12-35(29)46-37)27-15-19-38-32(23-27)30-11-5-7-13-36(30)47-38/h1-24H.
What are the key properties of N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine?
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine has a molecular weight of 648.74 g/mol, XLogP of 13.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine is sourced from PubChem (CID 167124156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).